Task 38614889
| Name | hif2a_A18_A22_r0_1-QUICO_ATM_GAFF2_NAGL_hif2a-5-6-RND5714_0 |
| Workunit | 31567239 |
| Created | 17 Apr 2026, 13:52:35 UTC |
| Sent | 17 Apr 2026, 13:58:40 UTC |
| Report deadline | 22 Apr 2026, 13:58:40 UTC |
| Received | 17 Apr 2026, 14:37:03 UTC |
| Server state | Over |
| Outcome | Computation error |
| Client state | Compute error |
| Exit status | 195 (0x000000C3) EXIT_CHILD_FAILED |
| Computer ID | 651945 |
| Run time | 36 min 37 sec |
| CPU time | 30 min 33 sec |
| Validate state | Invalid |
| Credit | 0.00 |
| Device peak FLOPS | 16,350.95 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 462.82 MB |
| Peak swap size | 7.96 GB |
| Peak disk usage | 2.88 GB |
Stderr output
<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
(0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
10:00:36 (4668): wrapper (7.9.26016): starting
10:00:36 (4668): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A18_A22_0.pdb
QB_A18_A22_0.xml
QB_A18_A22.inpcrd
QB_A18_A22_input.yaml
QB_A18_A22.pdb
QB_A18_A22.prmtop
QB_A18_A22_sys.xml
run.bat
run.sh
10:00:37 (4668): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:00:37 (4668): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\5\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\5\Scripts' which is not on PATH.
Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Traceback (most recent call last):
File "<frozen runpy>", line 198, in _run_module_as_main
File "<frozen runpy>", line 88, in _run_code
File "C:\ProgramData\BOINC\slots\5\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
rx.scheduleJobs()
File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
self.transport.ProcessJobQueue(min_time,cycle_time)
File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
self.isDone(repl,0)
File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
retcode = self._update_replica(job)
^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
(pos,vel) = job['openmm_worker'].get_posvel()
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
state = self.context.getState(getPositions=True, getVelocities=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\ProgramData\BOINC\slots\5\Lib\site-packages\openmm\openmm.py", line 5022, in getState
state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_UNKNOWN (999)
10:35:42 (4668): C:/Windows/system32/cmd.exe exited; CPU time 1833.187500
10:35:42 (4668): app exit status: 0x16
10:35:42 (4668): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 32950203 bytes.
Dumping objects ->
{3835262} normal block at 0x000001F61D9BFB20, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835251} normal block at 0x000001F61D9BFB90, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835240} normal block at 0x000001F61D9BFDC0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835229} normal block at 0x000001F61BC64C20, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835218} normal block at 0x000001F61BC64AD0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835187} normal block at 0x000001F61DA34C80, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835174} normal block at 0x000001F61BC5D8F0, 8 bytes long.
Data: < ö > 00 00 13 1C F6 01 00 00
{3833959} normal block at 0x000001F61BC5DE40, 8 bytes long.
Data: <0×Ä ö > 30 D7 C4 1B F6 01 00 00
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000001F61BC51520, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001F61BC51DC0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{295} normal block at 0x000001F61BC65D20, 16 bytes long.
Data: < gÆ ö > 98 67 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001F61BC65CD0, 16 bytes long.
Data: <pgÆ ö > 70 67 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001F61BC610A0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{292} normal block at 0x000001F61BC655F0, 16 bytes long.
Data: <HgÆ ö > 48 67 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001F61BC663B0, 16 bytes long.
Data: < gÆ ö > 20 67 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001F61BC66090, 16 bytes long.
Data: <øfÆ ö > F8 66 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001F61BC65B90, 16 bytes long.
Data: <ÐfÆ ö > D0 66 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001F61BC64C90, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{287} normal block at 0x000001F61BC66360, 16 bytes long.
Data: <h Å ö > 68 07 C5 1B F6 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001F61BC60F20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{285} normal block at 0x000001F61BC65690, 16 bytes long.
Data: <@ Å ö > 40 07 C5 1B F6 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001F61BC657D0, 16 bytes long.
Data: < Å ö > 18 07 C5 1B F6 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001F61BC661D0, 16 bytes long.
Data: <ð Å ö > F0 06 C5 1B F6 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001F61BC65C30, 16 bytes long.
Data: <È Å ö > C8 06 C5 1B F6 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001F61BC65C80, 16 bytes long.
Data: <  Å ö > A0 06 C5 1B F6 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001F61BC65AA0, 16 bytes long.
Data: <x Å ö > 78 06 C5 1B F6 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001F61BC61040, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{277} normal block at 0x000001F61BC66310, 16 bytes long.
Data: <P Å ö > 50 06 C5 1B F6 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000001F61BC50650, 320 bytes long.
Data: < cÆ ö @ Æ ö > 10 63 C6 1B F6 01 00 00 40 10 C6 1B F6 01 00 00
{275} normal block at 0x000001F61BC65FF0, 16 bytes long.
Data: <°fÆ ö > B0 66 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001F61BC662C0, 16 bytes long.
Data: < fÆ ö > 88 66 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001F61BC60C80, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{272} normal block at 0x000001F61BC65B40, 16 bytes long.
Data: <`fÆ ö > 60 66 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000001F61BC60FE0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{270} normal block at 0x000001F61BC66180, 16 bytes long.
Data: <¨eÆ ö > A8 65 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000001F61BC65E60, 16 bytes long.
Data: < eÆ ö > 80 65 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001F61BC66040, 16 bytes long.
Data: <XeÆ ö > 58 65 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001F61BC65910, 16 bytes long.
Data: <0eÆ ö > 30 65 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001F61BC654B0, 16 bytes long.
Data: < eÆ ö > 08 65 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001F61BC65DC0, 16 bytes long.
Data: <àdÆ ö > E0 64 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000001F61BC66400, 16 bytes long.
Data: <pMÆ ö > 70 4D C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001F61BC64D70, 40 bytes long.
Data: < dÆ ö L£ ö > 00 64 C6 1B F6 01 00 00 80 4C A3 1D F6 01 00 00
{261} normal block at 0x000001F61BC65D70, 16 bytes long.
Data: <ÀdÆ ö > C0 64 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000001F61BC655A0, 16 bytes long.
Data: < dÆ ö > 98 64 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001F61BC612E0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{258} normal block at 0x000001F61BC656E0, 16 bytes long.
Data: <pdÆ ö > 70 64 C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x000001F61BC66470, 992 bytes long.
Data: <àVÆ ö à Æ ö > E0 56 C6 1B F6 01 00 00 E0 12 C6 1B F6 01 00 00
{93} normal block at 0x000001F61BC60E60, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{92} normal block at 0x000001F61BC5DDA0, 16 bytes long.
Data: <@KÆ ö > 40 4B C6 1B F6 01 00 00 00 00 00 00 00 00 00 00
{91} normal block at 0x000001F61BC64B40, 40 bytes long.
Data: < ÝÅ ö ` Æ ö > A0 DD C5 1B F6 01 00 00 60 0E C6 1B F6 01 00 00
{70} normal block at 0x000001F61BC5D7B0, 16 bytes long.
Data: < êõ ö > 80 EA F5 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000001F61BC5DDF0, 16 bytes long.
Data: <@éõ ö > 40 E9 F5 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001F61BC5DD50, 16 bytes long.
Data: <øWò ö > F8 57 F2 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001F61BC5D670, 16 bytes long.
Data: <ØWò ö > D8 57 F2 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001F61BC5D530, 16 bytes long.
Data: <P ò ö > 50 04 F2 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001F61BC5D5D0, 16 bytes long.
Data: <0 ò ö > 30 04 F2 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001F61BC5D800, 16 bytes long.
Data: <à ò ö > E0 02 F2 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001F61BC5D8A0, 16 bytes long.
Data: < ò ö > 10 04 F2 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001F61BC5DD00, 16 bytes long.
Data: <p ò ö > 70 04 F2 04 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001F61BC5D940, 16 bytes long.
Data: < Àð ö > 18 C0 F0 04 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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